2-(1,3-Benzodioxol-5-yl)-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-ol
| Internal ID | ac2351df-dab8-46df-ae22-8cf8810bdc2c |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-ol |
| SMILES (Canonical) | CC1C(OC2=C1C=C(C(=C2)O)CC=C)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | CC1C(OC2=C1C=C(C(=C2)O)CC=C)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C19H18O4/c1-3-4-12-7-14-11(2)19(23-17(14)9-15(12)20)13-5-6-16-18(8-13)22-10-21-16/h3,5-9,11,19-20H,1,4,10H2,2H3 |
| InChI Key | ZEACHMAUZGHOTQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O4 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 97.89% | 89.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.24% | 91.49% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.12% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.88% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.35% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.98% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.65% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.26% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.16% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.75% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.12% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.01% | 98.95% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.36% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.20% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.99% | 92.62% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Nectandra amazonum |
| PubChem | 75116720 |
| LOTUS | LTS0196054 |
| wikiData | Q105372965 |